Using computer simulations to enhance teaching the structure of materials

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Abstract

We discuss computer programs for drawing and analyzing the structure of several types of materials at the atomic level. We begin with simple examples of structure addressed to middle and high school-level students using the ATOMS program. We continue with the program for phase identification from x-ray powder diffraction data and then we go to the graduate and post-graduate levels to discuss crystal structure analysis by using computer programs based on the Rietveld refinement method.